5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide

C15H23ClN2O2 — CID 76905959

IUPAC5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide
SMILESCc1cc(Cl)c(C(C)C)cc1OCCCCC(N)=NO
InChIInChI=1S/C15H23ClN2O2/c1-10(2)12-9-14(11(3)8-13(12)16)20-7-5-4-6-15(17)18-19/h8-10,19H,4-7H2,1-3H3,(H2,17,18)
InChIKeyDHABTAKQDWMSCY-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.07
Rot. Bonds7

About 5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide

5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide (PubChem CID 76905959) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide
PubChem CID76905959
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide
SMILESCc1cc(Cl)c(C(C)C)cc1OCCCCC(N)=NO
InChIInChI=1S/C15H23ClN2O2/c1-10(2)12-9-14(11(3)8-13(12)16)20-7-5-4-6-15(17)18-19/h8-10,19H,4-7H2,1-3H3,(H2,17,18)
InChIKeyDHABTAKQDWMSCY-UHFFFAOYSA-N
XLogP4.07
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoic acid
CID 16772315
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)butanenitrile
CID 43351983
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate
CID 43351528
4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide
CID 24697005
N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide
CID 24689545
5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide
CID 109374706
N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)ethyl]-3-methylbutan-2-amine
CID 63517874
1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 55221165
N'-hydroxy-5-(2-methyl-5-nitrophenoxy)pentanimidamide
CID 109374777
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-methylpropanenitrile
CID 43174896

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide (CID 76905959) is 5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide is Cc1cc(Cl)c(C(C)C)cc1OCCCCC(N)=NO.
What is the InChIKey of 5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide?
The InChIKey is DHABTAKQDWMSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(2)12-9-14(11(3)8-13(12)16)20-7-5-4-6-15(17)18-19/h8-10,19H,4-7H2,1-3H3,(H2,17,18).
What are the key properties of 5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide?
5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide has a molecular weight of 298.81 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide is sourced from PubChem (CID 76905959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).